PDB: 1828 件ウェブページステータス検索Chemie searchBIRD

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5DVC	Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form 分子名称: N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma 著者 Jang, J.Y. 登録日 2015-09-21 公開日 2016-09-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form To Be Published
4YNK	Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound 分子名称: (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Coactivator peptide drip from cDNA FLJ50196, highly similar to Peroxisome proliferator-activated receptor-binding protein, ... 著者 Watarai, Y, Ikura, T, Ito, N. 登録日 2015-03-10 公開日 2016-01-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds J.Med.Chem., 58, 2015
3KWY	Crystal structure of RXRalpha ligand binding domain in complex with triphenyltin and a coactivator fragment 分子名称: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ... 著者 le Maire, A, Bourguet, W. 登録日 2009-12-02 公開日 2010-01-19 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A structural view of nuclear hormone receptor: endocrine disruptor interactions. Cell.Mol.Life Sci., 67, 2010
2GWX	MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS 分子名称: PROTEIN (PPAR-DELTA) 著者 Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. 登録日 1999-03-11 公開日 2000-03-11 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
6Q6O	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6Q7H	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6JEZ	Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization 分子名称: (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... 著者 Kojima, H, Yamamoto, K, Itoh, T. 登録日 2019-02-07 公開日 2020-02-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
2POB	PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709 分子名称: GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma 著者 Nolte, R.T. 登録日 2007-04-26 公開日 2008-03-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Cocrystal structure guided array synthesis of PPARgamma inverse agonists BIOORG.MED.CHEM.LETT., 17, 2007
6VZN	Crystal structure of human PPARgamma ligand binding domain Y473E mutant 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2020-02-28 公開日 2021-03-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural mechanism underlying ligand binding and activation of PPAR gamma. Structure, 29, 2021
3SP9	Structural basis for iloprost as a dual PPARalpha/delta agonist 分子名称: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta 著者 Rong, H, Li, Y. 登録日 2011-07-01 公開日 2011-07-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
4IV4	Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b 分子名称: 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 著者 Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2013-01-22 公開日 2013-03-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
6FO8	Vitamin D nuclear receptor complex 4 分子名称: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A 著者 Rochel, N. 登録日 2018-02-06 公開日 2018-05-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists. J. Med. Chem., 61, 2018
4IUI	Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a 分子名称: 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 著者 Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2013-01-21 公開日 2013-03-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
6JNR	RXRa structure complexed with CU-6PMN and SRC1 peptide. 分子名称: 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha 著者 Kawasaki, M, Nakano, S, Motoyama, T, Yamada, S, Watanabe, M, Takamura, Y, Fujihara, M, Tokiwa, H, Kakuta, H, Ito, S. 登録日 2019-03-18 公開日 2020-03-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 RXRa structure complexed with CU-6PMN and SRC1 peptide. To Be Published
2PRG	LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA 分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), NUCLEAR RECEPTOR COACTIVATOR SRC-1, ... 著者 Nolte, R.T, Wisely, G.B, Milburn, M.V. 登録日 1998-08-14 公開日 1999-07-19 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-gamma. Nature, 395, 1998
4OJ4	Crystal structure of V290M PPARgamma mutant in complex with diclofenac 分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CALCIUM ION, Peroxisome proliferator-activated receptor gamma 著者 Puhl, A.C, Webb, P, Polikarpov, I. 登録日 2014-01-20 公開日 2015-02-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of a PPAR ligand-resistance syndrome mutant To be Published
3GBK	Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist 分子名称: 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Peng, Y.-H, Lin, C.-H, Hsieh, H.-P, Wu, S.-Y. 登録日 2009-02-19 公開日 2009-12-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists J.Med.Chem., 52, 2009
4J26	Estrogen Receptor in complex with proline-flanked LXXLL peptides 分子名称: 12-mer Peptide, ESTRADIOL, Estrogen receptor beta 著者 Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L. 登録日 2013-02-04 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction J.Am.Chem.Soc., 135, 2013
3FUR	Crystal Structure of PPARg in complex with INT131 分子名称: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... 著者 Wang, Z, Liu, J, Walker, N. 登録日 2009-01-14 公開日 2009-06-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
2PIN	Thyroid receptor beta in complex with inhibitor 分子名称: 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE, SULFATE ION, Thyroid hormone receptor beta-1, ... 著者 Estebanez-Perpina, E, Jouravel, N, Baxter, J.D, Guy, L.R, Webb, P, Fletterick, R.J. 登録日 2007-04-13 公開日 2008-02-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural insight into the mode of action of a direct inhibitor of coregulator binding to the thyroid hormone receptor. Mol.Endocrinol., 21, 2007
6FZP	PPAR gamma complex. 分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha 著者 Rochel, N, Beji, S. 登録日 2018-03-15 公開日 2019-02-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
4DMA	Crystal structure of ERa LBD in complex with RU100132 分子名称: 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol, Estrogen receptor, Nuclear receptor coactivator 1 著者 Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. 登録日 2012-02-07 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc.Natl.Acad.Sci.USA, 109, 2012
5Q1B	Ligand binding to FARNESOID-X-RECEPTOR 分子名称: 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 著者 Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. 登録日 2017-05-31 公開日 2017-07-05 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
4RME	Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 分子名称: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Xia, G, Muccio, D.D. 登録日 2014-10-21 公開日 2015-09-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J.Med.Chem., 58, 2015
2BAW	Human Nuclear Receptor-Ligand Complex 1 分子名称: Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside 著者 Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. 登録日 2005-10-15 公開日 2006-01-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form Mol.Cell, 21, 2006

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